Information card for entry 2241815

Structure parameters

• Chemical name: Poly[diaqua[μ~3~-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato-κ^5^<i>O</i>^2^:<i>O</i>^3^:<i>O</i>^3^,<i>N</i>^4^,<i>N</i>^5^]cadmium]
• Formula: C16 H12 Cd N4 O6
• Calculated formula: C16 H12 Cd N4 O6
• Title of publication: A two-dimensional Cd^II^ coordination polymer: poly[diaqua[μ~3~-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato-κ^5^<i>O</i>^2^:<i>O</i>^3^:<i>O</i>^3^,<i>N</i>^4^,<i>N</i>^5^]cadmium]
• Authors of publication: Alfonso, Monserrat; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 9
• Pages of publication: 1297 - 1300
• a: 16.6854 ± 0.0012 Å
• b: 7.0799 ± 0.0006 Å
• c: 13.4537 ± 0.001 Å
• α: 90°
• β: 96.236 ± 0.009°
• γ: 90°
• Cell volume: 1579.9 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 0.747
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes